N081-0775 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

N081-0775 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
N081-0775 Screening compound: 1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound N081-0775
1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N081-0775

Molecular Formula

C22H23NO4 (C22 H23 NO4)

Compound Name

1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

IUPAC name

1-[2-(2H-13-benzodioxol-5-yl)ethyl]-3-[(35-dimethylphenyl)methyl]pyrrolidine-25-dione

SMILES

Cc1cc(CC(CC(N2CCc(cc3)cc4c3OCO4)=O)C2=O)cc(C)c1

InChI

InChI=1S/C22H23NO4/c1-14-7-15(2)9-17(8-14)10-18-12-21(24)23(22(18)25)6-5-16-3-4-19-20(11-16)27-13-26-19/h3-4,7-9,11,18H,5-6,10,12-13H2,1-2H3/t18-/m0/s1

InChI Key

NCBHZQDXITYUSU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01933195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.30

Polar Surface Area

46.863

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

-6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

N081-0775 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with N081-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N081-0775?
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What is the minimum amount of N081-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N081-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N081-0775
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of N081-0775 available by request